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19214 Commits

Author SHA1 Message Date
Paul R. C. Kent f263daf58a
Merge branch 'develop' into nx_release_2_1 2021-03-03 18:57:20 -05:00
Paul R. C. Kent 36117ef5d0
Merge pull request #2983 from jtkrogel/nx_fix_tests 
Nexus: fix tests on Summit
 2021-03-03 18:56:56 -05:00
Jaron Krogel 506b6ab04e nexus: update version 2021-03-03 16:21:12 -05:00
Jaron Krogel 2a082b311d nexus: propagate nexus version query to all executables 2021-03-03 16:09:26 -05:00
Jaron Krogel 0c69332622 nexus: fix tests on summit 2021-03-03 14:44:03 -05:00
Ye Luo 4e02d5e40a
Merge pull request #2947 from shivupa/multipartmultidetfast 
MSD arbitrary species evaluation (1/N)
 2021-03-03 09:45:03 -06:00
Ye Luo 2bde20027e
Merge branch 'develop' into multipartmultidetfast 2021-03-02 22:48:42 -06:00
Ye Luo 4d188e8d77
Merge pull request #2979 from QMCPACK/origin/update_multi_for_clang11_second_try 
Clang CUDA AFQMC workaround device_allocator by defining uninitialized_copy at the allocator level
 2021-03-02 21:39:01 -06:00
Shiv Upadhyay 908c2587d8 remove data() and comments 2021-03-02 21:52:58 -05:00
Ye Luo d2c607f81f
Merge branch 'develop' into origin/update_multi_for_clang11_second_try 2021-03-02 20:10:59 -06:00
Paul R. C. Kent f51d1155c2
Merge pull request #2978 from ye-luo/move-printing 
Move batched driver XML parsing printing
 2021-03-02 19:44:08 -05:00
Ye Luo 276773f2e5
Merge branch 'develop' into origin/update_multi_for_clang11_second_try 2021-03-02 16:59:02 -06:00
Alfredo A. Correa edce156cb4 workaround deleted addressof for device_allocator by defining uninitialized_copy at the allocator level 2021-03-02 14:19:24 -08:00
Ye Luo 7fdb4db583 Merge remote-tracking branch 'origin/develop' into move-printing 2021-03-02 14:11:58 -06:00
Ye Luo d87084693b
Merge pull request #2977 from camelto2/sovmc_updates 
bring SOQMCUpdatePbyP up to date with recent changes
 2021-03-02 14:10:52 -06:00
Ye Luo e88b60e13f Remove unused input tags. 2021-03-02 13:04:14 -06:00
Ye Luo 2df48f47ea Update driver input parsing printing. 2021-03-02 13:00:55 -06:00
Ye Luo 23aa670aaf Print out a message when parsing input XML. 2021-03-02 12:26:55 -06:00
camelto2 e8f4739aa5 updates to SODMC 2021-03-02 10:42:25 -07:00
camelto2 54c407a0dc add some additional calls into SOVMCUpdate 2021-03-02 10:30:52 -07:00
Ye Luo 4c5addeaba Print non local move info only once. 2021-03-01 22:50:52 -06:00
Ye Luo ae6fea5dbe
Merge pull request #2974 from prckent/qedetect 
Improve QE detection
 2021-03-01 20:47:02 -06:00
Paul R. C. Kent 3971bc4456
Merge branch 'develop' into qedetect 2021-03-01 20:17:57 -05:00
Paul R. C. Kent b20000dd72
Merge pull request #2970 from ye-luo/pset-shared-resource 
Expand multi walker shared resource to ParticleSet and Hamiltonian
 2021-03-01 20:17:48 -05:00
Paul Kent 156a26e0f8 Cmake gardening 2021-03-01 17:35:21 -05:00
Shiv Upadhyay 24ac65ff00 remove useless variables 2021-03-01 17:23:46 -05:00
Paul Kent cf95f30e1a Simpler 2021-03-01 16:55:00 -05:00
Shiv Upadhyay 567c21b64d Move if BF to BackFlowStopper. remove unneeded variables 2021-03-01 16:53:08 -05:00
Ye Luo 364a5631ca Protect zero size crowd in VMCBatch. 2021-03-01 15:39:28 -06:00
Ye Luo 2dd30f66a1 More rename 2021-03-01 15:35:52 -06:00
Paul Kent c76676542e Improve QE detection 2021-03-01 16:11:13 -05:00
Shiv Upadhyay 8c7de661d6 Formatting. remove iterators 2021-03-01 16:04:45 -05:00
Ye Luo 2d2de42078 Merge remote-tracking branch 'origin/develop' into pset-shared-resource 2021-03-01 14:55:33 -06:00
Ye Luo c8fe44c44e Use DriverWalker instead of FatWalker. 2021-03-01 14:54:08 -06:00
Ye Luo 654db0305c
Merge pull request #2971 from Paul-St-Young/aftg 
Remove extraneous restriction on "nnodes"
 2021-03-01 13:33:14 -06:00
Shiv Upadhyay ddb58bfa23 add BackFlowStopper 2021-03-01 13:21:38 -05:00
Shiv Upadhyay 3840323447 Consolidate code 2021-03-01 13:20:59 -05:00
Shiv Upadhyay a3460fff0c Remove ambiguous variables 2021-03-01 13:20:34 -05:00
Yubo "Paul" Yang ecf1d199e8 avoid raw pointer to tgrp_ 2021-03-01 11:50:28 -06:00
Yubo "Paul" Yang da5b1ac96b remove extra erorrnous check on GPU 
correct check already present in TaskGroup_::setup (ndevices > 0)
 2021-03-01 11:49:55 -06:00
Ye Luo 99bcbcbd6f Formating QMCUpdateBase.cpp 2021-02-28 10:10:29 -06:00
Ye Luo 29989848be Merge branch 'develop' into pset-shared-resource 2021-02-28 10:09:52 -06:00
Ye Luo 474062068a
Merge pull request #2969 from ye-luo/introduce-GLcheck 
Introduce debug build GL check in non-batched drivers and fix two tests
 2021-02-28 10:09:02 -06:00
Ye Luo ed7999633a Minor fix. 2021-02-28 08:12:23 -06:00
Ye Luo 026737554d Update DT::updatePartial 2021-02-28 07:37:47 -06:00
Ye Luo a194e3349c Skip test not intended for legacy CUDA. 2021-02-28 00:30:08 -06:00
Ye Luo bed042a537 Fix heg_54_J2rpa test. 2021-02-28 00:01:02 -06:00
Ye Luo 0790984db3 Add checkLogAndGL to QMCUpdateBase. 2021-02-27 23:54:31 -06:00
Ye Luo c9ea277e3c Connect Hamiltonian multi walker resource. 2021-02-27 14:58:52 -06:00
Ye Luo 94c8a08369 Mark all createResource const. 2021-02-27 14:36:08 -06:00